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	hartrees
Energy at 0K	-492.095925
Energy at 298.15K	-492.099564
HF Energy	-491.586399
Nuclear repulsion energy	92.993726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3435	3358
2	A'	3075	3007
3	A'	2678	2618
4	A'	1609	1573
5	A'	1364	1333
6	A'	1204	1177
7	A'	921	900
8	A'	707	692
9	A'	417	407
10	A"	1025	1002
11	A"	712	696
12	A"	357	349

Atom	x (Å)	y (Å)
N1	1.262	1.049
C2	0.000	0.781
S3	-0.626	-0.886
H4	1.393	2.071
H5	-0.815	1.528
H6	0.607	-1.456

	N1	C2	S3	H4	H5	H6
N1		1.2898	2.7035	1.0296	2.1313	2.5900
C2	1.2898		1.7810	1.8982	1.1056	2.3186
S3	2.7035	1.7810		3.5803	2.4215	1.3582
H4	1.0296	1.8982	3.5803		2.2742	3.6137
H5	2.1313	1.1056	2.4215	2.2742		3.3060
H6	2.5900	2.3186	1.3582	3.6137	3.3060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	S3	122.574	N1	C2	H5	125.515
C2	N1	H4	109.341	C2	S3	H6	94.257
S3	C2	H5	111.911

All results from a given calculation for NHCHSH (Methanimidothioic acid)

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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